(2S,3R,4S,5R)-2-(6-bromo-1-methylindol-3-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol

C14H16BrNO5 — CID 10109020

IUPAC(2S,3R,4S,5R)-2-(6-bromo-1-methylindol-3-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCn1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ccc(Br)cc21
InChIInChI=1S/C14H16BrNO5/c1-16-5-10(8-3-2-7(15)4-9(8)16)20-14-13(19)12(18)11(6-17)21-14/h2-5,11-14,17-19H,6H2,1H3/t11-,12-,13-,14-/m1/s1
InChIKeySXOIJJZLCWEICC-AAVRWANBSA-N
MW358.19 g/mol
LogP0.76
Rot. Bonds3

About (2S,3R,4S,5R)-2-(6-bromo-1-methylindol-3-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol

(2S,3R,4S,5R)-2-(6-bromo-1-methylindol-3-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 10109020) has the molecular formula C14H16BrNO5 and a molecular weight of 358.19 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-(6-bromo-1-methylindol-3-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-(6-bromo-1-methylindol-3-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID10109020
Molecular FormulaC14H16BrNO5
Molecular Weight358.19 g/mol
Exact Mass357.02
IUPAC Name(2S,3R,4S,5R)-2-(6-bromo-1-methylindol-3-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCn1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ccc(Br)cc21
InChIInChI=1S/C14H16BrNO5/c1-16-5-10(8-3-2-7(15)4-9(8)16)20-14-13(19)12(18)11(6-17)21-14/h2-5,11-14,17-19H,6H2,1H3/t11-,12-,13-,14-/m1/s1
InChIKeySXOIJJZLCWEICC-AAVRWANBSA-N
XLogP0.76
TPSA84.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S,3R,4S,5R)-2-(6-bromo-1-methylindol-3-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-(6-bromo-1-methylindol-3-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2S,3R,4S,5R)-2-(6-bromo-1-methylindol-3-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol (CID 10109020) is (2S,3R,4S,5R)-2-(6-bromo-1-methylindol-3-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5R)-2-(6-bromo-1-methylindol-3-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5R)-2-(6-bromo-1-methylindol-3-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol is Cn1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ccc(Br)cc21.
What is the InChIKey of (2S,3R,4S,5R)-2-(6-bromo-1-methylindol-3-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is SXOIJJZLCWEICC-AAVRWANBSA-N. The full InChI is InChI=1S/C14H16BrNO5/c1-16-5-10(8-3-2-7(15)4-9(8)16)20-14-13(19)12(18)11(6-17)21-14/h2-5,11-14,17-19H,6H2,1H3/t11-,12-,13-,14-/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-(6-bromo-1-methylindol-3-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol?
(2S,3R,4S,5R)-2-(6-bromo-1-methylindol-3-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 358.19 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-(6-bromo-1-methylindol-3-yl)oxy-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 10109020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).